2-methyl-1,1-dioxo-1,3-thiazolidin-4-one

C4H7NO3S — CID 19595409

IUPAC2-methyl-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCC1NC(=O)CS1(=O)=O
InChIInChI=1S/C4H7NO3S/c1-3-5-4(6)2-9(3,7)8/h3H,2H2,1H3,(H,5,6)
InChIKeyDHAYFXKOGVLXBQ-UHFFFAOYSA-N
MW149.17 g/mol
LogP-1.12
Rot. Bonds

About 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one

2-methyl-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 19595409) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID19595409
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name2-methyl-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCC1NC(=O)CS1(=O)=O
InChIInChI=1S/C4H7NO3S/c1-3-5-4(6)2-9(3,7)8/h3H,2H2,1H3,(H,5,6)
InChIKeyDHAYFXKOGVLXBQ-UHFFFAOYSA-N
XLogP-1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one (CID 19595409) is 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one is CC1NC(=O)CS1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is DHAYFXKOGVLXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S/c1-3-5-4(6)2-9(3,7)8/h3H,2H2,1H3,(H,5,6).
What are the key properties of 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one?
2-methyl-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 149.17 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 19595409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).